Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | TPMT | P51580 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7797956 | 0.85 | CA12 (0.51) | HTTMAPTNPSR1CYP3A4CYP1A2 | |
| SCHEMBL2269163 | 0.84 | HTT (0.51) | HTTMAPTNPSR1CYP3A4CYP1A2 | |
| SCHEMBL22386784 | 0.84 | HTT (0.45) | HTTMAPTNPSR1CYP3A4CYP1A2 | |
| SCHEMBL14850065 | 0.81 | TSHR (0.66) | MAPTCYP3A4CYP1A2CYP2C9TSHR | |
| SCHEMBL30894823 | 0.81 | TSHR (0.66) | MAPTCYP3A4CYP1A2CYP2C9TSHR | |
| SCHEMBL8889303 | 0.80 | MAPT (0.58) | HTTMAPTNPSR1CYP3A4CYP1A2 | |
| SCHEMBL28843502 | 0.79 | CA12 (0.61) | HTTMAPTNPSR1TSHRPOLB | |
| SCHEMBL19929924 | 0.79 | TSHR (0.53) | MAPTCYP3A4CYP1A2CYP2C9TSHR | |
| SCHEMBL10001148 | 0.78 | TUBB4A (0.57) | HTTCYP3A4CYP1A2CYP2C9TSHR | |
| SCHEMBL7797952 | 0.77 | TSHR (0.46) | HTTMAPTNPSR1CYP3A4CYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6245778-B1 | 1,6-naphthyridine anti-convulsants | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-06-12 | — | — | US | disclosed |
| EP-0986559-A1 | 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-03-22 | — | — | EP | disclosed |
| WO-1998054184-A1 | 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1998-12-03 | — | — | WO | disclosed |